1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one

C11H18N2O2 — CID 105101248

IUPAC1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one
SMILESCCn1ccnc1C(=O)CC(C)COC
InChIInChI=1S/C11H18N2O2/c1-4-13-6-5-12-11(13)10(14)7-9(2)8-15-3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyOHBYMQXQVGRNPG-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.76
Rot. Bonds6

About 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one

1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one (PubChem CID 105101248) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one
PubChem CID105101248
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one
SMILESCCn1ccnc1C(=O)CC(C)COC
InChIInChI=1S/C11H18N2O2/c1-4-13-6-5-12-11(13)10(14)7-9(2)8-15-3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyOHBYMQXQVGRNPG-UHFFFAOYSA-N
XLogP1.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-3,5,5-trimethylhexan-1-one
CID 114973012
5-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116607603
3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one
CID 116612792
1-(1-ethylimidazol-2-yl)-3-methoxy-3-methylbutan-1-one
CID 103023250
3-amino-1-(1-ethylimidazol-2-yl)-5,5-dimethylhexan-1-one
CID 116614691
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
2-methoxy-1-(1-propylimidazol-2-yl)ethanone
CID 63977312
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
CID 66669024
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424
(3R)-3-methyl-1-(1-methylimidazol-2-yl)decan-1-one
CID 122382821
1-(1-ethylimidazol-2-yl)prop-2-en-1-one
CID 103453576

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one (CID 105101248) is 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one is CCn1ccnc1C(=O)CC(C)COC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one?
The InChIKey is OHBYMQXQVGRNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-13-6-5-12-11(13)10(14)7-9(2)8-15-3/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one?
1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one has a molecular weight of 210.28 g/mol, XLogP of 1.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-4-methoxy-3-methylbutan-1-one is sourced from PubChem (CID 105101248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).